4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine

C13H24F3NO — CID 123954752

IUPAC4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine
SMILESCCCC(CCC)N1CC(C)OC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-4-6-11(7-5-2)17-8-10(3)18-12(9-17)13(14,15)16/h10-12H,4-9H2,1-3H3
InChIKeyYLOSMFKKAVJTRB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.61
Rot. Bonds5

About 4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine

4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine (PubChem CID 123954752) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine
PubChem CID123954752
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine
SMILESCCCC(CCC)N1CC(C)OC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-4-6-11(7-5-2)17-8-10(3)18-12(9-17)13(14,15)16/h10-12H,4-9H2,1-3H3
InChIKeyYLOSMFKKAVJTRB-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine?
The IUPAC name of 4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine (CID 123954752) is 4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine?
The canonical SMILES for 4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine is CCCC(CCC)N1CC(C)OC(C(F)(F)F)C1.
What is the InChIKey of 4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine?
The InChIKey is YLOSMFKKAVJTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-4-6-11(7-5-2)17-8-10(3)18-12(9-17)13(14,15)16/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine?
4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine has a molecular weight of 267.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-4-yl-2-methyl-6-(trifluoromethyl)morpholine is sourced from PubChem (CID 123954752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).